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[homegchiche@yahoo.fr]

 Dear Steven Homolya and all abinit users,

Tahanks for your last answers and your help.

this is my input file to one Vacancy in 2x2x2 fcc nickel :

# 8- atom cell : Nickel with one vacancy. Unrelaxed
strprecon 0.1
tsmear 0.01
ixc 1
acell 3*13.3           
rprim  0.0  0.5  0.5   
       0.5  0.0  0.5 
       0.5  0.5  0.0

occopt 7          
nband  48  
#optcell 1
#ionmov  3
ntime  1000
#dilatmx 1.05
#ecutsm  0.5
#nsppol 2 
ntype 1           
zatnum 28         
                
                           

natom 8           
type 8*1          
xcart             
   0.0  0.0  0.0     
   0.5  0.5  0.0
   0.5  0.0  0.5
   0.0  0.5 0.5
   1.0 1.0 0.5
   0.5 0.5 1.0
   1.0 0.5 0.5
   1.0  0.0 0.0
vacnum 1
vaclst 1
ecut  55.0     

2#Definition of the k-point grid
kptopt 1          
                  
ngkpt 8 8 8       
nshiftk 1         
                  
shiftk 0.5 0.5 0.5
       0.5 0.0 0.0
       0.0 0.5 0.0
       0.0 0.0 0.5

#Definition of the SCF procedure
nstep 80          
toldfe 1.0d-
-----------------------------------
And this my input file for pur nickel substanse :
 
occopt 7
tsmear 0.01
ixc 1

acell 3*6.65           
rprim  0.0  0.5  0.5   
       0.5  0.0  0.5 
       0.5  0.5  0.0
#nsppol 2          
#occopt 3          
nband  9       

#spinat 0.0 0.0 0.5  
optcell 1
ionmov  3
ntime  1000
dilatmx 1.05
ecutsm  0.5

ntype 1           
zatnum 28          
                                         
ndtset 1
natom 1           
type 1            
xred                                
0.0  0.0  0.0     

ecut  55.0  
kptopt 1          
ngkpt 8 8 8       
nshiftk 1         
         
                
shiftk 0.5 0.5 0.5
       0.5 0.0 0.0
       0.0 0.5 0.0
       0.0 0.0 0.5

nstep 80          
toldfe 1.0d-6      
-------------------------------
 my question is if this two intput files are compatible to calculate the 
formation energy ?.

Thanks for your time and your help
Sincerly yours
Megchiche